Geometry & MOs

Info

ID:	253034
PubChem CID:	103115628
Reduced:	O4N5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	239.081853
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	7.13
IP(EA), eV:	-9.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoroethyl)-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOCC(CN1C(=C(N=N1)C(=O)O)C2=CN=CN2C)O

DOS

IR

Vibrations